| CAS Number | 735322-09-5 |
| Catalog Number | AG00ICEQ |
| Chemical Name | 3-[5-(diethylsulfamoyl)-1-ethyl-1H-1,3-benzodiazol-2-yl]propanoic acid |
| IUPAC Name | 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoic acid |
| InChI | InChI=1S/C16H23N3O4S/c1-4-18(5-2)24(22,23)12-7-8-14-13(11-12)17-15(19(14)6-3)9-10-16(20)21/h7-8,11H,4-6,9-10H2,1-3H3,(H,20,21) |
| InChI Key | ZFXCTCCKWQDCIC-UHFFFAOYSA-N |
| MDL Number | MFCD04614619 |
| Molecular Formula | C16H23N3O4S |
| Molecular Weight | 353.4365 |
| SMILES | CCN(S(C1=CC2=C(N(C(=N2)CCC(O)=O)CC)C=C1)(=O)=O)CC |
| Synonyms | 3-(5-Diethylsulfamoyl-1-ethyl-1H-benzoimidazol-2-yl)-propionic acid,
3-[5-(diethylsulfamoyl)-1-ethyl-1H-1,3-benzodiazol-2-yl]propanoic acid,
735322-09-5,
AC1MWISX,
AC1Q2ZJA,
MLS000759934,
CHEMBL1885553,
CTK6E8683,
HMS2661E23,
ZINC3886652,
MFCD04614619,
AKOS008029772,
MCULE-6106876586,
NE12895,
SMR000370100,
EN300-06714,
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoic acid,
CID3749970,
3-[5-(diethylsulfamoyl)-1-ethyl-benzoimidazol-2-yl]propanoic Acid,
|
| Complexity | 530 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.437g/mol |
| Monoisotopic Mass | 353.141g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number